CID 3118668

4-chloro-2-nitro-n-propylbenzamide

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CCCNC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O3/c1-2-5-12-10(14)8-4-3-7(11)6-9(8)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKey
GGCSULIHUASPSP-UHFFFAOYSA-N
Compound name
4-chloro-2-nitro-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 150.8
[M+Na]+ 265.03504 158.0
[M-H]- 241.03854 154.4
[M+NH4]+ 260.07964 168.2
[M+K]+ 281.00898 150.7
[M+H-H2O]+ 225.04308 150.3
[M+HCOO]- 287.04402 172.1
[M+CH3COO]- 301.05967 187.6
[M+Na-2H]- 263.02049 156.4
[M]+ 242.04527 152.0
[M]- 242.04637 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.